help students understand molecular structures and engage in the compelling world of science.
AppointmentInitial coordinates, a potential, and algorithms for propagation.
Appointmentwe discuss recent optimization approaches to the protein side-chain prediction problem, protein structural alignment, and molecular structure determination from X-ray diffraction measurements.
AppointmentProtein-docking is a molecular modeling problem which aims to predict, with computer science algorithms and techniques, the mutual orientation and position of two molecules forming a complex.
AppointmentVirtual screening can be defined as a set of computational methods that analyzes large databases or collections of compounds in order to identify potential hit candidates.
AppointmentMolecular visualization is fundamental in the current scientific literature, textbooks and dissemination materials. It provides an essential support for presenting results, reasoning on and formulating hypotheses related to molecular structure.
AppointmentDec 05, 2020
Nov 30, 2020